Geometry & MOs

Info

ID:	7142
PubChem CID:	71354
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-55.64
Dipole, Da:	6.16
IP(EA), eV:	-8.89(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-benzylindazol-3-yl)methoxy]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)OCC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3

DOS

IR

Vibrations